SCHEMBL4315534

SCHEMBL4315534

Cc1cc(CC(=O)O)nn1CC(=O)N1CCC(c2nc(-c3cc(C(C)(C)C)nc(C(C)(C)C)n3)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.33
BAZ2A Q9UIF9 1/20 0.33
SHMT1 P34896 1/20 0.32
SPR P35270 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13807765 0.91 FAAH (0.35) FAAHBAZ2ASHMT1TP53THRB
SCHEMBL4311554 0.86 MAPT (0.34) SHMT1TP53GAAALDH1A1SMN1; SMN2
SCHEMBL4314876 0.77 RARA (0.37) FAAHSPRALDH1A1SMN1; SMN2
SCHEMBL13807752 0.76 SPR (0.35) FAAHBAZ2ASPRALDH1A1SMN1; SMN2
SCHEMBL4308899 0.76 CXCR3 (0.48)
SCHEMBL13807438 0.75 GPR119 (0.45) FAAHTHRB
SCHEMBL14495650 0.74 FAAH (0.34) FAAHBAZ2A
SCHEMBL3596505 0.74 SHMT1 (0.36) SHMT1TP53GAAALDH1A1SMN1; SMN2
SCHEMBL14495718 0.74 FAAH (0.40) FAAHALDH1A1SMN1; SMN2
SCHEMBL4307217 0.72 MAPT (0.34) SHMT1TP53GAAALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US claimed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
EP-1957076-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-08-20 EP disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 FAAH 2880/4885BAZ2A 1912/4885SHMT1 2527/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.